Name: B7/CD28 interaction inhibitor 1
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212037938
Cas No:635324-72-0
常用名:B7/CD28 interaction inhibitor 1
别名:CTLA-4 inhibitor
IUPAC:4-(4-fluorophenyl)-10-methyl-7-[3-(trifluoromethyl)phenyl]-3,4,8,10,11-pentaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),7,11-tetraen-5-one
IUPAC:4-(4-fluorophenyl)-10-methyl-7-[3-(trifluoromethyl)phenyl]-3,4,8,10,11-pentaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),7,11-tetraen-5-one
InChI key:WQKVVTLTCHDAST-UHFFFAOYSA-N

分子式:C21H13F4N5O
分子量:427.363
氢键供体数 (HBD):1
氢键受体数 (HBA):4
LogP:5.1346316
SMILES:Cn1ncc2c1nc(-c1cccc(c1)C(F)(F)F)c1c2[nH]n(-c2ccc(F)cc2)c1=O
SMILES:Cn1ncc2c1nc(-c1cccc(c1)C(F)(F)F)c1c2[nH]n(-c2ccc(F)cc2)c1=O

B7/CD28 interaction inhibitor 1 (CTLA-4 inhibitor) 是B7.1-CD28相互作用抑制剂(IC50:50 nM)。

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